Hmdb loader
Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-06 15:16:52 UTC
Update Date2022-03-07 02:52:03 UTC
HMDB IDHMDB0015616
Secondary Accession Numbers
  • HMDB15616
Metabolite Identification
Common NameTelaprevir
DescriptionTelaprevir (VX-950) is a highly selective and potent inhibitor of the HCV NS3-4A serine protease. It is a member of a class of antiviral drugs known as protease inhibitors and is the first hepatitis C drug that has demonstrated activity in patients who have failed prior therapy. On April 28, 2011, the FDA Antiviral Drugs Advisory Committee voted 18-0 to recommend approval telaprevir for people with genotype 1 chronic hepatitis C and was approved in the U.S. in May, 2011.
Structure
Data?1582753316
Synonyms
ValueSource
(1S,3AR,6as)-(2S)-2-cyclohexyl-N-(pyrazinylcarbonyl)glycyl-3-methyl-L-valyl-N-((1S)-1-((cyclopropylamino)oxoacetyl)butyl)octahydrocyclopenta(c)pyrrole-1-carboxamideChEBI
IncivekChEBI
VX 950ChEBI
VX-950ChEBI
IncivoKegg
AIDS-213006HMDB
AIDS213006HMDB
LY-570310HMDB
MP-424HMDB
VRT111950HMDB
VX950 CPDHMDB
Chemical FormulaC36H53N7O6
Average Molecular Weight679.8493
Monoisotopic Molecular Weight679.405732463
IUPAC Name(3S)-3-{[(1S,3aR,6aS)-2-[(2S)-2-[(2S)-2-cyclohexyl-2-(pyrazin-2-ylformamido)acetamido]-3,3-dimethylbutanoyl]-octahydrocyclopenta[c]pyrrol-1-yl]formamido}-N-cyclopropyl-2-oxohexanamide
Traditional Nameincivek
CAS Registry Number402957-28-2
SMILES
[H][C@@]12CCC[C@]1([H])[C@H](N(C2)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)C1=NC=CN=C1)C1CCCCC1)C(C)(C)C)C(=O)N[C@@H](CCC)C(=O)C(=O)NC1CC1
InChI Identifier
InChI=1S/C36H53N7O6/c1-5-10-25(29(44)34(48)39-23-15-16-23)40-33(47)28-24-14-9-13-22(24)20-43(28)35(49)30(36(2,3)4)42-32(46)27(21-11-7-6-8-12-21)41-31(45)26-19-37-17-18-38-26/h17-19,21-25,27-28,30H,5-16,20H2,1-4H3,(H,39,48)(H,40,47)(H,41,45)(H,42,46)/t22-,24-,25-,27-,28-,30+/m0/s1
InChI KeyBBAWEDCPNXPBQM-GDEBMMAJSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as hybrid peptides. Hybrid peptides are compounds containing at least two different types of amino acids (alpha, beta, gamma, delta) linked to each other through a peptide bond.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassPeptidomimetics
Sub ClassHybrid peptides
Direct ParentHybrid peptides
Alternative Parents
Substituents
  • Hybrid peptide
  • Valine or derivatives
  • N-acyl-alpha amino acid or derivatives
  • Alpha-amino acid amide
  • N-substituted-alpha-amino acid
  • Alpha-amino acid or derivatives
  • Pyrazine carboxylic acid or derivatives
  • Pyrazinecarboxamide
  • 2-heteroaryl carboxamide
  • N-acylpyrrolidine
  • Pyrrolidine carboxylic acid or derivatives
  • Pyrrolidine-2-carboxamide
  • Fatty amide
  • N-acyl-amine
  • Fatty acyl
  • Pyrazine
  • Pyrrolidine
  • Tertiary carboxylic acid amide
  • Heteroaromatic compound
  • Secondary carboxylic acid amide
  • Carboxamide group
  • Ketone
  • Azacycle
  • Organoheterocyclic compound
  • Carboxylic acid derivative
  • Organopnictogen compound
  • Organic oxide
  • Organic nitrogen compound
  • Organic oxygen compound
  • Hydrocarbon derivative
  • Carbonyl group
  • Organonitrogen compound
  • Organooxygen compound
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
RoleNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water Solubility0.036 g/LNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.036 g/LALOGPS
logP2.56ALOGPS
logP2.58ChemAxon
logS-4.3ALOGPS
pKa (Strongest Acidic)11.86ChemAxon
pKa (Strongest Basic)-0.69ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count8ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area179.56 ŲChemAxon
Rotatable Bond Count14ChemAxon
Refractivity180.04 m³·mol⁻¹ChemAxon
Polarizability74.37 ųChemAxon
Number of Rings5ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M-2H]-281.37230932474
DeepCCS[M+Na]+255.84830932474
AllCCS[M+H]+257.432859911
AllCCS[M+H-H2O]+257.132859911
AllCCS[M+NH4]+257.632859911
AllCCS[M+Na]+257.732859911
AllCCS[M-H]-231.932859911
AllCCS[M+Na-2H]-235.232859911
AllCCS[M+HCOO]-238.832859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Telaprevir[H][C@@]12CCC[C@]1([H])[C@H](N(C2)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)C1=NC=CN=C1)C1CCCCC1)C(C)(C)C)C(=O)N[C@@H](CCC)C(=O)C(=O)NC1CC14734.8Standard polar33892256
Telaprevir[H][C@@]12CCC[C@]1([H])[C@H](N(C2)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)C1=NC=CN=C1)C1CCCCC1)C(C)(C)C)C(=O)N[C@@H](CCC)C(=O)C(=O)NC1CC13526.9Standard non polar33892256
Telaprevir[H][C@@]12CCC[C@]1([H])[C@H](N(C2)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)C1=NC=CN=C1)C1CCCCC1)C(C)(C)C)C(=O)N[C@@H](CCC)C(=O)C(=O)NC1CC15204.2Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Telaprevir,1TMS,isomer #1CCCC(NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)C1=CN=CC=N1)C1CCCCC1)C(C)(C)C)=C(O[Si](C)(C)C)C(=O)NC1CC14979.7Semi standard non polar33892256
Telaprevir,1TMS,isomer #1CCCC(NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)C1=CN=CC=N1)C1CCCCC1)C(C)(C)C)=C(O[Si](C)(C)C)C(=O)NC1CC14269.7Standard non polar33892256
Telaprevir,1TMS,isomer #1CCCC(NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)C1=CN=CC=N1)C1CCCCC1)C(C)(C)C)=C(O[Si](C)(C)C)C(=O)NC1CC17937.9Standard polar33892256
Telaprevir,1TMS,isomer #2CCC[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](N(C(=O)[C@@H](NC(=O)C1=CN=CC=N1)C1CCCCC1)[Si](C)(C)C)C(C)(C)C)C(=O)C(=O)NC1CC14814.3Semi standard non polar33892256
Telaprevir,1TMS,isomer #2CCC[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](N(C(=O)[C@@H](NC(=O)C1=CN=CC=N1)C1CCCCC1)[Si](C)(C)C)C(C)(C)C)C(=O)C(=O)NC1CC14527.7Standard non polar33892256
Telaprevir,1TMS,isomer #2CCC[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](N(C(=O)[C@@H](NC(=O)C1=CN=CC=N1)C1CCCCC1)[Si](C)(C)C)C(C)(C)C)C(=O)C(=O)NC1CC17890.1Standard polar33892256
Telaprevir,1TMS,isomer #3CCC[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@H](C1CCCCC1)N(C(=O)C1=CN=CC=N1)[Si](C)(C)C)C(C)(C)C)C(=O)C(=O)NC1CC14906.0Semi standard non polar33892256
Telaprevir,1TMS,isomer #3CCC[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@H](C1CCCCC1)N(C(=O)C1=CN=CC=N1)[Si](C)(C)C)C(C)(C)C)C(=O)C(=O)NC1CC14487.1Standard non polar33892256
Telaprevir,1TMS,isomer #3CCC[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@H](C1CCCCC1)N(C(=O)C1=CN=CC=N1)[Si](C)(C)C)C(C)(C)C)C(=O)C(=O)NC1CC17615.9Standard polar33892256
Telaprevir,1TMS,isomer #4CCC[C@@H](C(=O)C(=O)NC1CC1)N(C(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)C1=CN=CC=N1)C1CCCCC1)C(C)(C)C)[Si](C)(C)C4850.2Semi standard non polar33892256
Telaprevir,1TMS,isomer #4CCC[C@@H](C(=O)C(=O)NC1CC1)N(C(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)C1=CN=CC=N1)C1CCCCC1)C(C)(C)C)[Si](C)(C)C4527.6Standard non polar33892256
Telaprevir,1TMS,isomer #4CCC[C@@H](C(=O)C(=O)NC1CC1)N(C(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)C1=CN=CC=N1)C1CCCCC1)C(C)(C)C)[Si](C)(C)C7860.1Standard polar33892256
Telaprevir,1TMS,isomer #5CCC[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)C1=CN=CC=N1)C1CCCCC1)C(C)(C)C)C(=O)C(=O)N(C1CC1)[Si](C)(C)C4798.7Semi standard non polar33892256
Telaprevir,1TMS,isomer #5CCC[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)C1=CN=CC=N1)C1CCCCC1)C(C)(C)C)C(=O)C(=O)N(C1CC1)[Si](C)(C)C4534.4Standard non polar33892256
Telaprevir,1TMS,isomer #5CCC[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)C1=CN=CC=N1)C1CCCCC1)C(C)(C)C)C(=O)C(=O)N(C1CC1)[Si](C)(C)C7911.4Standard polar33892256
Telaprevir,2TMS,isomer #1CCCC(=C(O[Si](C)(C)C)C(=O)NC1CC1)N(C(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)C1=CN=CC=N1)C1CCCCC1)C(C)(C)C)[Si](C)(C)C4827.3Semi standard non polar33892256
Telaprevir,2TMS,isomer #1CCCC(=C(O[Si](C)(C)C)C(=O)NC1CC1)N(C(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)C1=CN=CC=N1)C1CCCCC1)C(C)(C)C)[Si](C)(C)C4222.3Standard non polar33892256
Telaprevir,2TMS,isomer #1CCCC(=C(O[Si](C)(C)C)C(=O)NC1CC1)N(C(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)C1=CN=CC=N1)C1CCCCC1)C(C)(C)C)[Si](C)(C)C7537.8Standard polar33892256
Telaprevir,2TMS,isomer #10CCC[C@@H](C(=O)C(=O)N(C1CC1)[Si](C)(C)C)N(C(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)C1=CN=CC=N1)C1CCCCC1)C(C)(C)C)[Si](C)(C)C4666.1Semi standard non polar33892256
Telaprevir,2TMS,isomer #10CCC[C@@H](C(=O)C(=O)N(C1CC1)[Si](C)(C)C)N(C(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)C1=CN=CC=N1)C1CCCCC1)C(C)(C)C)[Si](C)(C)C4536.9Standard non polar33892256
Telaprevir,2TMS,isomer #10CCC[C@@H](C(=O)C(=O)N(C1CC1)[Si](C)(C)C)N(C(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)C1=CN=CC=N1)C1CCCCC1)C(C)(C)C)[Si](C)(C)C7509.2Standard polar33892256
Telaprevir,2TMS,isomer #2CCCC(NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](N(C(=O)[C@@H](NC(=O)C1=CN=CC=N1)C1CCCCC1)[Si](C)(C)C)C(C)(C)C)=C(O[Si](C)(C)C)C(=O)NC1CC14791.1Semi standard non polar33892256
Telaprevir,2TMS,isomer #2CCCC(NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](N(C(=O)[C@@H](NC(=O)C1=CN=CC=N1)C1CCCCC1)[Si](C)(C)C)C(C)(C)C)=C(O[Si](C)(C)C)C(=O)NC1CC14241.8Standard non polar33892256
Telaprevir,2TMS,isomer #2CCCC(NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](N(C(=O)[C@@H](NC(=O)C1=CN=CC=N1)C1CCCCC1)[Si](C)(C)C)C(C)(C)C)=C(O[Si](C)(C)C)C(=O)NC1CC17566.0Standard polar33892256
Telaprevir,2TMS,isomer #3CCCC(NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@H](C1CCCCC1)N(C(=O)C1=CN=CC=N1)[Si](C)(C)C)C(C)(C)C)=C(O[Si](C)(C)C)C(=O)NC1CC14847.8Semi standard non polar33892256
Telaprevir,2TMS,isomer #3CCCC(NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@H](C1CCCCC1)N(C(=O)C1=CN=CC=N1)[Si](C)(C)C)C(C)(C)C)=C(O[Si](C)(C)C)C(=O)NC1CC14147.7Standard non polar33892256
Telaprevir,2TMS,isomer #3CCCC(NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@H](C1CCCCC1)N(C(=O)C1=CN=CC=N1)[Si](C)(C)C)C(C)(C)C)=C(O[Si](C)(C)C)C(=O)NC1CC17284.9Standard polar33892256
Telaprevir,2TMS,isomer #4CCCC(NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)C1=CN=CC=N1)C1CCCCC1)C(C)(C)C)=C(O[Si](C)(C)C)C(=O)N(C1CC1)[Si](C)(C)C4787.0Semi standard non polar33892256
Telaprevir,2TMS,isomer #4CCCC(NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)C1=CN=CC=N1)C1CCCCC1)C(C)(C)C)=C(O[Si](C)(C)C)C(=O)N(C1CC1)[Si](C)(C)C4186.7Standard non polar33892256
Telaprevir,2TMS,isomer #4CCCC(NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)C1=CN=CC=N1)C1CCCCC1)C(C)(C)C)=C(O[Si](C)(C)C)C(=O)N(C1CC1)[Si](C)(C)C7676.5Standard polar33892256
Telaprevir,2TMS,isomer #5CCC[C@@H](C(=O)C(=O)NC1CC1)N(C(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](N(C(=O)[C@@H](NC(=O)C1=CN=CC=N1)C1CCCCC1)[Si](C)(C)C)C(C)(C)C)[Si](C)(C)C4685.5Semi standard non polar33892256
Telaprevir,2TMS,isomer #5CCC[C@@H](C(=O)C(=O)NC1CC1)N(C(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](N(C(=O)[C@@H](NC(=O)C1=CN=CC=N1)C1CCCCC1)[Si](C)(C)C)C(C)(C)C)[Si](C)(C)C4548.5Standard non polar33892256
Telaprevir,2TMS,isomer #5CCC[C@@H](C(=O)C(=O)NC1CC1)N(C(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](N(C(=O)[C@@H](NC(=O)C1=CN=CC=N1)C1CCCCC1)[Si](C)(C)C)C(C)(C)C)[Si](C)(C)C7478.5Standard polar33892256
Telaprevir,2TMS,isomer #6CCC[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](N(C(=O)[C@H](C1CCCCC1)N(C(=O)C1=CN=CC=N1)[Si](C)(C)C)[Si](C)(C)C)C(C)(C)C)C(=O)C(=O)NC1CC14711.8Semi standard non polar33892256
Telaprevir,2TMS,isomer #6CCC[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](N(C(=O)[C@H](C1CCCCC1)N(C(=O)C1=CN=CC=N1)[Si](C)(C)C)[Si](C)(C)C)C(C)(C)C)C(=O)C(=O)NC1CC14500.1Standard non polar33892256
Telaprevir,2TMS,isomer #6CCC[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](N(C(=O)[C@H](C1CCCCC1)N(C(=O)C1=CN=CC=N1)[Si](C)(C)C)[Si](C)(C)C)C(C)(C)C)C(=O)C(=O)NC1CC17216.0Standard polar33892256
Telaprevir,2TMS,isomer #7CCC[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](N(C(=O)[C@@H](NC(=O)C1=CN=CC=N1)C1CCCCC1)[Si](C)(C)C)C(C)(C)C)C(=O)C(=O)N(C1CC1)[Si](C)(C)C4636.7Semi standard non polar33892256
Telaprevir,2TMS,isomer #7CCC[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](N(C(=O)[C@@H](NC(=O)C1=CN=CC=N1)C1CCCCC1)[Si](C)(C)C)C(C)(C)C)C(=O)C(=O)N(C1CC1)[Si](C)(C)C4550.1Standard non polar33892256
Telaprevir,2TMS,isomer #7CCC[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](N(C(=O)[C@@H](NC(=O)C1=CN=CC=N1)C1CCCCC1)[Si](C)(C)C)C(C)(C)C)C(=O)C(=O)N(C1CC1)[Si](C)(C)C7535.3Standard polar33892256
Telaprevir,2TMS,isomer #8CCC[C@@H](C(=O)C(=O)NC1CC1)N(C(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@H](C1CCCCC1)N(C(=O)C1=CN=CC=N1)[Si](C)(C)C)C(C)(C)C)[Si](C)(C)C4721.7Semi standard non polar33892256
Telaprevir,2TMS,isomer #8CCC[C@@H](C(=O)C(=O)NC1CC1)N(C(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@H](C1CCCCC1)N(C(=O)C1=CN=CC=N1)[Si](C)(C)C)C(C)(C)C)[Si](C)(C)C4490.4Standard non polar33892256
Telaprevir,2TMS,isomer #8CCC[C@@H](C(=O)C(=O)NC1CC1)N(C(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@H](C1CCCCC1)N(C(=O)C1=CN=CC=N1)[Si](C)(C)C)C(C)(C)C)[Si](C)(C)C7198.5Standard polar33892256
Telaprevir,2TMS,isomer #9CCC[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@H](C1CCCCC1)N(C(=O)C1=CN=CC=N1)[Si](C)(C)C)C(C)(C)C)C(=O)C(=O)N(C1CC1)[Si](C)(C)C4691.9Semi standard non polar33892256
Telaprevir,2TMS,isomer #9CCC[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@H](C1CCCCC1)N(C(=O)C1=CN=CC=N1)[Si](C)(C)C)C(C)(C)C)C(=O)C(=O)N(C1CC1)[Si](C)(C)C4493.4Standard non polar33892256
Telaprevir,2TMS,isomer #9CCC[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@H](C1CCCCC1)N(C(=O)C1=CN=CC=N1)[Si](C)(C)C)C(C)(C)C)C(=O)C(=O)N(C1CC1)[Si](C)(C)C7254.4Standard polar33892256
Telaprevir,3TMS,isomer #1CCCC(=C(O[Si](C)(C)C)C(=O)N(C1CC1)[Si](C)(C)C)N(C(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)C1=CN=CC=N1)C1CCCCC1)C(C)(C)C)[Si](C)(C)C4732.9Semi standard non polar33892256
Telaprevir,3TMS,isomer #1CCCC(=C(O[Si](C)(C)C)C(=O)N(C1CC1)[Si](C)(C)C)N(C(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)C1=CN=CC=N1)C1CCCCC1)C(C)(C)C)[Si](C)(C)C4260.2Standard non polar33892256
Telaprevir,3TMS,isomer #1CCCC(=C(O[Si](C)(C)C)C(=O)N(C1CC1)[Si](C)(C)C)N(C(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)C1=CN=CC=N1)C1CCCCC1)C(C)(C)C)[Si](C)(C)C7253.5Standard polar33892256
Telaprevir,3TMS,isomer #10CCC[C@@H](C(=O)C(=O)N(C1CC1)[Si](C)(C)C)N(C(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@H](C1CCCCC1)N(C(=O)C1=CN=CC=N1)[Si](C)(C)C)C(C)(C)C)[Si](C)(C)C4605.6Semi standard non polar33892256
Telaprevir,3TMS,isomer #10CCC[C@@H](C(=O)C(=O)N(C1CC1)[Si](C)(C)C)N(C(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@H](C1CCCCC1)N(C(=O)C1=CN=CC=N1)[Si](C)(C)C)C(C)(C)C)[Si](C)(C)C4504.7Standard non polar33892256
Telaprevir,3TMS,isomer #10CCC[C@@H](C(=O)C(=O)N(C1CC1)[Si](C)(C)C)N(C(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@H](C1CCCCC1)N(C(=O)C1=CN=CC=N1)[Si](C)(C)C)C(C)(C)C)[Si](C)(C)C6800.7Standard polar33892256
Telaprevir,3TMS,isomer #2CCCC(=C(O[Si](C)(C)C)C(=O)NC1CC1)N(C(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](N(C(=O)[C@@H](NC(=O)C1=CN=CC=N1)C1CCCCC1)[Si](C)(C)C)C(C)(C)C)[Si](C)(C)C4708.0Semi standard non polar33892256
Telaprevir,3TMS,isomer #2CCCC(=C(O[Si](C)(C)C)C(=O)NC1CC1)N(C(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](N(C(=O)[C@@H](NC(=O)C1=CN=CC=N1)C1CCCCC1)[Si](C)(C)C)C(C)(C)C)[Si](C)(C)C4247.2Standard non polar33892256
Telaprevir,3TMS,isomer #2CCCC(=C(O[Si](C)(C)C)C(=O)NC1CC1)N(C(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](N(C(=O)[C@@H](NC(=O)C1=CN=CC=N1)C1CCCCC1)[Si](C)(C)C)C(C)(C)C)[Si](C)(C)C7144.3Standard polar33892256
Telaprevir,3TMS,isomer #3CCCC(=C(O[Si](C)(C)C)C(=O)NC1CC1)N(C(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@H](C1CCCCC1)N(C(=O)C1=CN=CC=N1)[Si](C)(C)C)C(C)(C)C)[Si](C)(C)C4735.5Semi standard non polar33892256
Telaprevir,3TMS,isomer #3CCCC(=C(O[Si](C)(C)C)C(=O)NC1CC1)N(C(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@H](C1CCCCC1)N(C(=O)C1=CN=CC=N1)[Si](C)(C)C)C(C)(C)C)[Si](C)(C)C4161.5Standard non polar33892256
Telaprevir,3TMS,isomer #3CCCC(=C(O[Si](C)(C)C)C(=O)NC1CC1)N(C(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@H](C1CCCCC1)N(C(=O)C1=CN=CC=N1)[Si](C)(C)C)C(C)(C)C)[Si](C)(C)C6841.5Standard polar33892256
Telaprevir,3TMS,isomer #4CCCC(NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](N(C(=O)[C@H](C1CCCCC1)N(C(=O)C1=CN=CC=N1)[Si](C)(C)C)[Si](C)(C)C)C(C)(C)C)=C(O[Si](C)(C)C)C(=O)NC1CC14733.8Semi standard non polar33892256
Telaprevir,3TMS,isomer #4CCCC(NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](N(C(=O)[C@H](C1CCCCC1)N(C(=O)C1=CN=CC=N1)[Si](C)(C)C)[Si](C)(C)C)C(C)(C)C)=C(O[Si](C)(C)C)C(=O)NC1CC14158.1Standard non polar33892256
Telaprevir,3TMS,isomer #4CCCC(NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](N(C(=O)[C@H](C1CCCCC1)N(C(=O)C1=CN=CC=N1)[Si](C)(C)C)[Si](C)(C)C)C(C)(C)C)=C(O[Si](C)(C)C)C(=O)NC1CC16854.9Standard polar33892256
Telaprevir,3TMS,isomer #5CCCC(NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](N(C(=O)[C@@H](NC(=O)C1=CN=CC=N1)C1CCCCC1)[Si](C)(C)C)C(C)(C)C)=C(O[Si](C)(C)C)C(=O)N(C1CC1)[Si](C)(C)C4684.7Semi standard non polar33892256
Telaprevir,3TMS,isomer #5CCCC(NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](N(C(=O)[C@@H](NC(=O)C1=CN=CC=N1)C1CCCCC1)[Si](C)(C)C)C(C)(C)C)=C(O[Si](C)(C)C)C(=O)N(C1CC1)[Si](C)(C)C4204.9Standard non polar33892256
Telaprevir,3TMS,isomer #5CCCC(NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](N(C(=O)[C@@H](NC(=O)C1=CN=CC=N1)C1CCCCC1)[Si](C)(C)C)C(C)(C)C)=C(O[Si](C)(C)C)C(=O)N(C1CC1)[Si](C)(C)C7278.0Standard polar33892256
Telaprevir,3TMS,isomer #6CCCC(NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@H](C1CCCCC1)N(C(=O)C1=CN=CC=N1)[Si](C)(C)C)C(C)(C)C)=C(O[Si](C)(C)C)C(=O)N(C1CC1)[Si](C)(C)C4727.1Semi standard non polar33892256
Telaprevir,3TMS,isomer #6CCCC(NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@H](C1CCCCC1)N(C(=O)C1=CN=CC=N1)[Si](C)(C)C)C(C)(C)C)=C(O[Si](C)(C)C)C(=O)N(C1CC1)[Si](C)(C)C4110.0Standard non polar33892256
Telaprevir,3TMS,isomer #6CCCC(NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@H](C1CCCCC1)N(C(=O)C1=CN=CC=N1)[Si](C)(C)C)C(C)(C)C)=C(O[Si](C)(C)C)C(=O)N(C1CC1)[Si](C)(C)C6983.5Standard polar33892256
Telaprevir,3TMS,isomer #7CCC[C@@H](C(=O)C(=O)N(C1CC1)[Si](C)(C)C)N(C(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](N(C(=O)[C@@H](NC(=O)C1=CN=CC=N1)C1CCCCC1)[Si](C)(C)C)C(C)(C)C)[Si](C)(C)C4578.5Semi standard non polar33892256
Telaprevir,3TMS,isomer #7CCC[C@@H](C(=O)C(=O)N(C1CC1)[Si](C)(C)C)N(C(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](N(C(=O)[C@@H](NC(=O)C1=CN=CC=N1)C1CCCCC1)[Si](C)(C)C)C(C)(C)C)[Si](C)(C)C4568.4Standard non polar33892256
Telaprevir,3TMS,isomer #7CCC[C@@H](C(=O)C(=O)N(C1CC1)[Si](C)(C)C)N(C(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](N(C(=O)[C@@H](NC(=O)C1=CN=CC=N1)C1CCCCC1)[Si](C)(C)C)C(C)(C)C)[Si](C)(C)C7099.8Standard polar33892256
Telaprevir,3TMS,isomer #8CCC[C@@H](C(=O)C(=O)NC1CC1)N(C(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](N(C(=O)[C@H](C1CCCCC1)N(C(=O)C1=CN=CC=N1)[Si](C)(C)C)[Si](C)(C)C)C(C)(C)C)[Si](C)(C)C4624.8Semi standard non polar33892256
Telaprevir,3TMS,isomer #8CCC[C@@H](C(=O)C(=O)NC1CC1)N(C(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](N(C(=O)[C@H](C1CCCCC1)N(C(=O)C1=CN=CC=N1)[Si](C)(C)C)[Si](C)(C)C)C(C)(C)C)[Si](C)(C)C4526.2Standard non polar33892256
Telaprevir,3TMS,isomer #8CCC[C@@H](C(=O)C(=O)NC1CC1)N(C(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](N(C(=O)[C@H](C1CCCCC1)N(C(=O)C1=CN=CC=N1)[Si](C)(C)C)[Si](C)(C)C)C(C)(C)C)[Si](C)(C)C6757.5Standard polar33892256
Telaprevir,3TMS,isomer #9CCC[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](N(C(=O)[C@H](C1CCCCC1)N(C(=O)C1=CN=CC=N1)[Si](C)(C)C)[Si](C)(C)C)C(C)(C)C)C(=O)C(=O)N(C1CC1)[Si](C)(C)C4594.1Semi standard non polar33892256
Telaprevir,3TMS,isomer #9CCC[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](N(C(=O)[C@H](C1CCCCC1)N(C(=O)C1=CN=CC=N1)[Si](C)(C)C)[Si](C)(C)C)C(C)(C)C)C(=O)C(=O)N(C1CC1)[Si](C)(C)C4528.9Standard non polar33892256
Telaprevir,3TMS,isomer #9CCC[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](N(C(=O)[C@H](C1CCCCC1)N(C(=O)C1=CN=CC=N1)[Si](C)(C)C)[Si](C)(C)C)C(C)(C)C)C(=O)C(=O)N(C1CC1)[Si](C)(C)C6808.6Standard polar33892256
Telaprevir,1TBDMS,isomer #1CCCC(NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)C1=CN=CC=N1)C1CCCCC1)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(=O)NC1CC15163.7Semi standard non polar33892256
Telaprevir,1TBDMS,isomer #1CCCC(NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)C1=CN=CC=N1)C1CCCCC1)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(=O)NC1CC14408.7Standard non polar33892256
Telaprevir,1TBDMS,isomer #1CCCC(NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)C1=CN=CC=N1)C1CCCCC1)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(=O)NC1CC17863.0Standard polar33892256
Telaprevir,1TBDMS,isomer #2CCC[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](N(C(=O)[C@@H](NC(=O)C1=CN=CC=N1)C1CCCCC1)[Si](C)(C)C(C)(C)C)C(C)(C)C)C(=O)C(=O)NC1CC15016.0Semi standard non polar33892256
Telaprevir,1TBDMS,isomer #2CCC[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](N(C(=O)[C@@H](NC(=O)C1=CN=CC=N1)C1CCCCC1)[Si](C)(C)C(C)(C)C)C(C)(C)C)C(=O)C(=O)NC1CC14672.7Standard non polar33892256
Telaprevir,1TBDMS,isomer #2CCC[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](N(C(=O)[C@@H](NC(=O)C1=CN=CC=N1)C1CCCCC1)[Si](C)(C)C(C)(C)C)C(C)(C)C)C(=O)C(=O)NC1CC17799.6Standard polar33892256
Telaprevir,1TBDMS,isomer #3CCC[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@H](C1CCCCC1)N(C(=O)C1=CN=CC=N1)[Si](C)(C)C(C)(C)C)C(C)(C)C)C(=O)C(=O)NC1CC15093.8Semi standard non polar33892256
Telaprevir,1TBDMS,isomer #3CCC[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@H](C1CCCCC1)N(C(=O)C1=CN=CC=N1)[Si](C)(C)C(C)(C)C)C(C)(C)C)C(=O)C(=O)NC1CC14628.3Standard non polar33892256
Telaprevir,1TBDMS,isomer #3CCC[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@H](C1CCCCC1)N(C(=O)C1=CN=CC=N1)[Si](C)(C)C(C)(C)C)C(C)(C)C)C(=O)C(=O)NC1CC17540.2Standard polar33892256
Telaprevir,1TBDMS,isomer #4CCC[C@@H](C(=O)C(=O)NC1CC1)N(C(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)C1=CN=CC=N1)C1CCCCC1)C(C)(C)C)[Si](C)(C)C(C)(C)C5012.2Semi standard non polar33892256
Telaprevir,1TBDMS,isomer #4CCC[C@@H](C(=O)C(=O)NC1CC1)N(C(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)C1=CN=CC=N1)C1CCCCC1)C(C)(C)C)[Si](C)(C)C(C)(C)C4668.2Standard non polar33892256
Telaprevir,1TBDMS,isomer #4CCC[C@@H](C(=O)C(=O)NC1CC1)N(C(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)C1=CN=CC=N1)C1CCCCC1)C(C)(C)C)[Si](C)(C)C(C)(C)C7766.3Standard polar33892256
Telaprevir,1TBDMS,isomer #5CCC[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)C1=CN=CC=N1)C1CCCCC1)C(C)(C)C)C(=O)C(=O)N(C1CC1)[Si](C)(C)C(C)(C)C5002.9Semi standard non polar33892256
Telaprevir,1TBDMS,isomer #5CCC[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)C1=CN=CC=N1)C1CCCCC1)C(C)(C)C)C(=O)C(=O)N(C1CC1)[Si](C)(C)C(C)(C)C4676.6Standard non polar33892256
Telaprevir,1TBDMS,isomer #5CCC[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)C1=CN=CC=N1)C1CCCCC1)C(C)(C)C)C(=O)C(=O)N(C1CC1)[Si](C)(C)C(C)(C)C7826.7Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Telaprevir GC-MS (Non-derivatized) - 70eV, Positivesplash10-0159-9223442000-e5383967958c67d6112b2017-09-01Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Telaprevir 10V, Positive-QTOFsplash10-001i-6843629000-79c7b7ded030cb60adc72016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Telaprevir 20V, Positive-QTOFsplash10-001i-9552200000-560c5847843df7fb12ea2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Telaprevir 40V, Positive-QTOFsplash10-03yi-9741000000-d0cce25ee4a591dc49422016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Telaprevir 10V, Negative-QTOFsplash10-004i-3110139000-1e704c91c3d845bfeca52016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Telaprevir 20V, Negative-QTOFsplash10-0a4i-9122233000-56280db5fa8fe46604b22016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Telaprevir 40V, Negative-QTOFsplash10-0a4i-9221000000-b4c08449c2485eb5aaa52016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Telaprevir 10V, Positive-QTOFsplash10-01q9-0422819000-25e8b17badb7c49ff1952021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Telaprevir 20V, Positive-QTOFsplash10-014i-3693102000-b3e1a171d8cc901ea4dd2021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Telaprevir 40V, Positive-QTOFsplash10-03dj-7920000000-e6576b8ab01ad0ece8b52021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Telaprevir 10V, Negative-QTOFsplash10-004i-1122029000-dfbe8fa31727dcf49f1d2021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Telaprevir 20V, Negative-QTOFsplash10-01ox-6292000000-2e22a254a5f3a2d0c8662021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Telaprevir 40V, Negative-QTOFsplash10-004u-9310210000-13381e484478671991392021-10-11Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Membrane
Biospecimen Locations
  • Blood
  • Urine
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableTaking drug identified by DrugBank entry DB05521 details
UrineExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableTaking drug identified by DrugBank entry DB05521 details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDDB05521
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID2279948
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkTelaprevir
METLIN IDNot Available
PubChem Compound3010818
PDB IDNot Available
ChEBI ID68595
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceZnabet A, Polak MM, Janssen E, de Kanter FJ, Turner NJ, Orru RV, Ruijter E. A highly efficient synthesis of telaprevir by strategic use of biocatalysis and multicomponent reactions. Chem Commun (Camb). 2010 Nov 14;46(42):7918-20. Epub 2010 Sep 20.
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Kim JJ, Culley CM, Mohammad RA: Telaprevir: an oral protease inhibitor for hepatitis C virus infection. Am J Health Syst Pharm. 2012 Jan 1;69(1):19-33. doi: 10.2146/ajhp110123. [PubMed:22180548 ]
  2. Liu-Young G, Kozal MJ: Hepatitis C protease and polymerase inhibitors in development. AIDS Patient Care STDS. 2008 Jun;22(6):449-57. doi: 10.1089/apc.2007.0199. [PubMed:18479202 ]
  3. Forestier N, Zeuzem S: Telaprevir for the treatment of hepatitis C. Expert Opin Pharmacother. 2012 Mar;13(4):593-606. doi: 10.1517/14656566.2012.660524. Epub 2012 Feb 15. [PubMed:22332992 ]
  4. Garg V, Kauffman RS, Beaumont M, van Heeswijk RP: Telaprevir: pharmacokinetics and drug interactions. Antivir Ther. 2012;17(7):1211-21. doi: 10.3851/IMP2356. Epub 2012 Sep 7. [PubMed:22954756 ]
  5. Authors unspecified: Telaprevir. Drugs R D. 2010;10(3):179-202. doi: 10.2165/11586020-000000000-00000. [PubMed:20945948 ]

Enzymes

General function:
Involved in monooxygenase activity
Specific function:
Cytochromes P450 are a group of heme-thiolate monooxygenases. In liver microsomes, this enzyme is involved in an NADPH-dependent electron transport pathway. It performs a variety of oxidation reactions (e.g. caffeine 8-oxidation, omeprazole sulphoxidation, midazolam 1'-hydroxylation and midazolam 4-hydroxylation) of structurally unrelated compounds, including steroids, fatty acids, and xenobiotics. Acts as a 1,8-cineole 2-exo-monooxygenase. The enzyme also hydroxylates etoposide.
Gene Name:
CYP3A4
Uniprot ID:
P08684
Molecular weight:
57255.585
References
  1. Kim JJ, Culley CM, Mohammad RA: Telaprevir: an oral protease inhibitor for hepatitis C virus infection. Am J Health Syst Pharm. 2012 Jan 1;69(1):19-33. doi: 10.2146/ajhp110123. [PubMed:22180548 ]